Tert-butyl 1,2,5-thiadiazepane-5-carboxylate 1,1-dioxide CAS 410545-39-0

Purity 97%+In StockPharmaceutical Standards
CAS No.410545-39-0
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Tert-butyl 1,2,5-thiadiazepane-5-carboxylate 1,1-dioxide CAS 410545-39-0 chemical structure

Description

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

CATO supplies Tert-butyl 1,2,5-thiadiazepane-5-carboxylate 1,1-dioxide (CAS 410545-39-0), a certified reference material (molecular formula C9H18N2O4S, MW 250.32 g/mol) for analytical method development and quality control.

Based on its molecular formula C9H18N2O4S, Tert-butyl 1,2,5-thiadiazepane-5-carboxylate 1,1-dioxide contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 250.32 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

Physical & Chemical Properties

Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityLight-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)2025
Nitrogen Atoms2
Sulfur Atoms1

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